5zh2 - Revision history

OCA at 08:54, 22 November 2023

2023-11-22T08:54:50Z

←Older revision		Revision as of 08:54, 22 November 2023
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	==CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5==		==CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5==
-	<StructureSection load='5zh2' size='340' side='right' caption='[[5zh2]], [[Resolution\|resolution]] 2.66Å' scene=''>	+	<StructureSection load='5zh2' size='340' side='right'caption='[[5zh2]], [[Resolution\|resolution]] 2.66Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5zh2]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Plafo Plafo~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZH2 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5ZH2 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5zh2]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum_NF54 Plasmodium falciparum NF54]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZH2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ZH2 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9CU:(3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one'>9CU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=LYS:LYSINE'>LYS</scene>, <scene name='pdbligand=MPO:3[N-MORPHOLINO]PROPANE+SULFONIC+ACID'>MPO</scene~~></td></tr>~~	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.66Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFNF54_04763 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5843 PLAFO])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9CU:(3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one'>9CU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=LYS:LYSINE'>LYS</scene>, <scene name='pdbligand=MPO:3[N-MORPHOLINO]PROPANE+SULFONIC+ACID'>MPO</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysine--tRNA_ligase Lysine--tRNA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.1.1.6 6.1.1.6] </span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5zh2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5zh2 OCA], [https://pdbe.org/5zh2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5zh2 RCSB], [https://www.ebi.ac.uk/pdbsum/5zh2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5zh2 ProSAT]</span></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5zh2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5zh2 OCA], [~~http~~://pdbe.org/5zh2 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5zh2 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5zh2 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5zh2 ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/W7JP72_PLAFO W7JP72_PLAFO]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5zh2" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5zh2" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Aminoacyl tRNA synthetase 3D structures\|Aminoacyl tRNA synthetase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Lysine--tRNA ligase~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Plafo~~]]	+	[[Category: Plasmodium falciparum NF54]]
-	[[Category: Babbar, P]]	+	[[Category: Babbar P]]
-	[[Category: Harlos, K]]	+	[[Category: Harlos K]]
-	[[Category: Malhotra, N]]	+	[[Category: Malhotra N]]
-	[[Category: Manickam, Y]]	+	[[Category: Manickam Y]]
-	[[Category: Reddy~~, D S~~]]	+	[[Category: Reddy DS]]
-	[[Category: Sharma, A]]	+	[[Category: Sharma A]]
-	[[Category: Sharma, M]]	+	[[Category: Sharma M]]
-	~~[[Category: Kr]]~~	+
-	~~[[Category: Ligase]]~~	+
-	~~[[Category: Ligase-ligase inhibitor complex~~]]	+

OCA at 07:31, 25 July 2018

2018-07-25T07:31:39Z

←Older revision		Revision as of 07:31, 25 July 2018
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	<StructureSection load='5zh2' size='340' side='right' caption='[[5zh2]], [[Resolution\|resolution]] 2.66Å' scene=''>		<StructureSection load='5zh2' size='340' side='right' caption='[[5zh2]], [[Resolution\|resolution]] 2.66Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5zh2]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZH2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ZH2 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5zh2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Plafo Plafo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZH2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ZH2 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9CU:(3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one'>9CU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=LYS:LYSINE'>LYS</scene>, <scene name='pdbligand=MPO:3[N-MORPHOLINO]PROPANE+SULFONIC+ACID'>MPO</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9CU:(3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one'>9CU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=LYS:LYSINE'>LYS</scene>, <scene name='pdbligand=MPO:3[N-MORPHOLINO]PROPANE+SULFONIC+ACID'>MPO</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFNF54_04763 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5843 PLAFO])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysine--tRNA_ligase Lysine--tRNA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.1.1.6 6.1.1.6] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysine--tRNA_ligase Lysine--tRNA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.1.1.6 6.1.1.6] </span></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5zh2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5zh2 OCA], [http://pdbe.org/5zh2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5zh2 RCSB], [http://www.ebi.ac.uk/pdbsum/5zh2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5zh2 ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5zh2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5zh2 OCA], [http://pdbe.org/5zh2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5zh2 RCSB], [http://www.ebi.ac.uk/pdbsum/5zh2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5zh2 ProSAT]</span></td></tr>
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	</StructureSection>		</StructureSection>
	[[Category: Lysine--tRNA ligase]]		[[Category: Lysine--tRNA ligase]]
		+	[[Category: Plafo]]
	[[Category: Babbar, P]]		[[Category: Babbar, P]]
	[[Category: Harlos, K]]		[[Category: Harlos, K]]

OCA at 05:32, 27 June 2018

2018-06-27T05:32:57Z

←Older revision		Revision as of 05:32, 27 June 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5zh2 is ~~ON HOLD until Paper~~ Publication	+	==CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5==
		+	<StructureSection load='5zh2' size='340' side='right' caption='[[5zh2]], [[Resolution\|resolution]] 2.66Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5zh2]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZH2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ZH2 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9CU:(3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one'>9CU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=LYS:LYSINE'>LYS</scene>, <scene name='pdbligand=MPO:3[N-MORPHOLINO]PROPANE+SULFONIC+ACID'>MPO</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Lysine--tRNA_ligase Lysine--tRNA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.1.1.6 6.1.1.6] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5zh2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5zh2 OCA], [http://pdbe.org/5zh2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5zh2 RCSB], [http://www.ebi.ac.uk/pdbsum/5zh2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5zh2 ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The dependence of drug potency on diastereomeric configurations is a key facet. Using a novel general divergent synthetic route for a three-chiral center antimalarial natural product cladosporin, we built its complete library of stereoisomers (cladologs) and assessed their inhibitory potential using parasite-, enzyme-, and structure-based assays. We show that potency is manifest via tetrahyropyran ring conformations that are housed in the ribose binding pocket of parasite lysyl tRNA synthetase (KRS). Strikingly, drug potency between top and worst enantiomers varied 500-fold, and structures of KRS-cladolog complexes reveal that alterations at C3 and C10 are detrimental to drug potency whereas changes at C3 are sensed by rotameric flipping of glutamate 332. Given that scores of antimalarial and anti-infective drugs contain chiral centers, this work provides a new foundation for focusing on inhibitor stereochemistry as a facet of antimicrobial drug development.

-	~~Authors~~:	+	Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.,Das P, Babbar P, Malhotra N, Sharma M, Jachak GR, Gonnade RG, Shanmugam D, Harlos K, Yogavel M, Sharma A, Reddy DS J Med Chem. 2018 Jun 4. doi: 10.1021/acs.jmedchem.8b00565. PMID:29779382<ref>PMID:29779382</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5zh2" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Lysine--tRNA ligase]]
		+	[[Category: Babbar, P]]
		+	[[Category: Harlos, K]]
		+	[[Category: Malhotra, N]]
		+	[[Category: Manickam, Y]]
		+	[[Category: Reddy, D S]]
		+	[[Category: Sharma, A]]
		+	[[Category: Sharma, M]]
		+	[[Category: Kr]]
		+	[[Category: Ligase]]
		+	[[Category: Ligase-ligase inhibitor complex]]

OCA at 05:08, 28 March 2018

2018-03-28T05:08:30Z

←Older revision		Revision as of 05:08, 28 March 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5zh2 is ON HOLD	+	The entry 5zh2 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "5zh2" [edit=sysop:move=sysop]

2018-03-21T05:59:01Z

Protected "5zh2" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:59, 21 March 2018

OCA: New page: '''Unreleased structure''' The entry 5zh2 is ON HOLD Authors: Description: Category: Unreleased Structures

2018-03-21T05:59:00Z

New page: '''Unreleased structure''' The entry 5zh2 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5zh2 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]